1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-2,3-dihydroindole

C21H22FN5 — CID 3173832

IUPAC1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-2,3-dihydroindole
SMILESFc1ccc(C(c2nnnn2C2CCCC2)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H22FN5/c22-17-11-9-16(10-12-17)20(26-14-13-15-5-1-4-8-19(15)26)21-23-24-25-27(21)18-6-2-3-7-18/h1,4-5,8-12,18,20H,2-3,6-7,13-14H2
InChIKeyVIHAMWJRRXUHMW-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.08
Rot. Bonds4

About 1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-2,3-dihydroindole

1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-2,3-dihydroindole (PubChem CID 3173832) has the molecular formula C21H22FN5 and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-2,3-dihydroindole
PubChem CID3173832
Molecular FormulaC21H22FN5
Molecular Weight363.44 g/mol
Exact Mass363.19
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-2,3-dihydroindole
SMILESFc1ccc(C(c2nnnn2C2CCCC2)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H22FN5/c22-17-11-9-16(10-12-17)20(26-14-13-15-5-1-4-8-19(15)26)21-23-24-25-27(21)18-6-2-3-7-18/h1,4-5,8-12,18,20H,2-3,6-7,13-14H2
InChIKeyVIHAMWJRRXUHMW-UHFFFAOYSA-N
XLogP4.08
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-2,3-dihydroindole?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-2,3-dihydroindole (CID 3173832) is 1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-2,3-dihydroindole?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-2,3-dihydroindole is Fc1ccc(C(c2nnnn2C2CCCC2)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-2,3-dihydroindole?
The InChIKey is VIHAMWJRRXUHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5/c22-17-11-9-16(10-12-17)20(26-14-13-15-5-1-4-8-19(15)26)21-23-24-25-27(21)18-6-2-3-7-18/h1,4-5,8-12,18,20H,2-3,6-7,13-14H2.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-2,3-dihydroindole?
1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-2,3-dihydroindole has a molecular weight of 363.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltetrazol-5-yl)-(4-fluorophenyl)methyl]-2,3-dihydroindole is sourced from PubChem (CID 3173832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).